Hello all,I am using gromacs 2019, i installed openmpi and did the buil mdrun
only option, however when i type the command
mpirun -np 6 -v mdrun_mpi -multidir replica-[012345] -s 1a1z-md.tpr -x
1a1z-md.xtc -o 1a1z-md.trr -c 1a1z-md.pdb -replex 500i get the following
errormpirun was unable
mahs.rez...@mail.sbu.ac.ir
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Hi, I’ve pasted below an email that I sent to this list a few months ago after
receiving some help building GROMACS on my MacBook with AMD GPU. This was with
a slightly earlier version of GROMACS but it may still be helpful.
Mike
———
Hi again Szilárd, I just wanted to follow up on my last
Hi,
Have you tried to use the cmake curse interface:
ccmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=gcc
-DCMAKE_CXX_COMPILER=g++ -DGMX_GPU=ON -DGMX_USE_OPENCL=ON
What version of OS X are you using? Manual indicates may need 10.10.4 or
higher if using an AMD GPU
Hi I have successfully installed Gromacs version 2018.6 (non-GPU version:
with the following values:
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=gcc
-DCMAKE_CXX_COMPILER=g++ -DBUILD_SHARED_LIBS=OFF
-DCMAKE_INSTALL_PREFIX='usr/local/gromacs/2018.6/'
I am not able to generate makefile for
